2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide

C16H16FN3O2 — CID 18161294

IUPAC2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide
SMILESNC(=O)NC(Cc1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H16FN3O2/c17-12-8-4-5-9-13(12)19-15(21)14(20-16(18)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,19,21)(H3,18,20,22)
InChIKeyOORCNTFOJQDZTL-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.04
Rot. Bonds5

About 2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide

2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide (PubChem CID 18161294) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide
PubChem CID18161294
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide
SMILESNC(=O)NC(Cc1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H16FN3O2/c17-12-8-4-5-9-13(12)19-15(21)14(20-16(18)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,19,21)(H3,18,20,22)
InChIKeyOORCNTFOJQDZTL-UHFFFAOYSA-N
XLogP2.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 18160928
N-[(2R)-1-(2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide
CID 95395467
N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 134008809
N-(6-bromo-2-oxo-1H-pyridin-3-yl)-2-(carbamoylamino)-3-phenylpropanamide
CID 166223731
N-(2-fluorophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 15998707
2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 18160503
[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18158789
N-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55345705
(2S)-N-(2-chlorophenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55937511
(2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide
CID 40792237
2-(carbamoylamino)-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 24636305
N-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 43006853

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide?
The IUPAC name of 2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide (CID 18161294) is 2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide is NC(=O)NC(Cc1ccccc1)C(=O)Nc1ccccc1F.
What is the InChIKey of 2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide?
The InChIKey is OORCNTFOJQDZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-12-8-4-5-9-13(12)19-15(21)14(20-16(18)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,19,21)(H3,18,20,22).
What are the key properties of 2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide?
2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide has a molecular weight of 301.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 18161294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).